기본 정보
- 표준 SMILES
Cn1nc(-c2ccc(S(=O)(=O)Cl)s2)cc1C(F)(F)F- InChIKey
BWVNHXIGDZASCP-UHFFFAOYSA-N- 분자식
- C9H6ClF3N2O2S2
- 평균 분자량
- 330.7 g/mol
- 단동위원소 질량
- 329.95113177
이름 및 식별자
- 우선 이름
- 5-[1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3-Yl]Thiophene-2-Sulfonyl Chloride
- IUPAC
- 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride
- 영어명
- 2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-thiophene-5-sulfonyl chloride
- 분자식
- C9H6ClF3N2O2S2
- 분자량
- 330.74
이름 및 동의어
166964-31-45-[1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3-Yl]Thiophene-2-Sulfonyl Chloride2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-thiophene-5-sulfonyl chloride5-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)thiophene-2-sulfonyl chloride5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl ChlorideMFCD000522832-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-5-sulphonyl chloride5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulphonyl chloride5-(1-methyl-5-trifluoromethyl-1h-pyrazol-3-yl)-thiophene-2-sulfonyl chloride2-[1-methyl-5-(trifluoromethyl)-1h-pyrazol-3-yl]thiophene-5-sulphonyl chlorideSCHEMBL3010846DTXSID30379650
이름 더 보기
5-[1-MethBUTTPARK 37\04-092-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-5-sulphony5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulf5-[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-thiophenesulfonamide5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonyl2-[1-Methyl-3-(trifluoromethyl)pyrazole-5-yl]thiophene-5-sulfonyl Chloride2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-5-sulphonylchloride97%
AKOS0158510522-Thiophenesulfonyl chloride, 5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-BP-10618PS-10830CS-0320839F0083962-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-5-sulfonyl chloride5-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)thiophene-2-sulfonylchloride
데이터베이스 식별자
- CAS
166964-31-4- PubChem CID
- 2775671
- DTXSID
DTXSID30379650- EC Number
- 671-942-3
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 88.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 440
물리화학적 성질
- 녹는점
- 77 · 77-80°C
- 끓는 점
- 421.2 · 421.2±45.0 °C(Predicted)
- 밀도
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- -2.23 · -2.23±0.10(Predicted)
- 물리적 상태
- 결정성 분말
- 색상
- 하얀색
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Corr. 1B (100%)
안전 데이터
- ridadr
- 3261
- HS 번호
- 2934999090
- risk_code
- 34-36
- hazard_code
- C,Xi
- safety_code
- 26-36/37/39
- 위험 등급
- CORROSIVE
- 위험 참고 사항
- Corrosive/Stench
화학 및 산업
공급사3 곳
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
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